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2736-21-2

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Basic Information
CAS No.: 2736-21-2
Name: 6-METHOXYTRYPTAMINE HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 2736-21-2 (6-METHOXYTRYPTAMINE HYDROCHLORIDE)
Formula: C11H14 N2 O . Cl H
Molecular Weight: 226.73
Synonyms: 1H-Indole-3-ethanamine,6-methoxy-, monohydrochloride (9CI); Indole, 3-(2-aminoethyl)-6-methoxy-,monohydrochloride (8CI); 6-Methoxytryptamine hydrochloride; 6-Methoxytryptaminemonohydrochloride
Density: g/cm3
Boiling Point: 380°Cat760mmHg
Flash Point: 183.6°C
Safety: Poison by intravenous route. Moderately toxic by subcutaneous route. When heated to decomposition it emits very toxic fumes of HCl and NOx.
PSA: 51.04000
LogP: 2.37800
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Chemistry

Molecule structure of  6-Methoxytryptamine hydrochloride (CAS NO.2736-21-2) :

IUPAC Name: 2-(6-methoxy-1H-indol-3-yl)ethylazanium chloride 
Molecular Weight: 226.7026 g/mol
Molecular Formula: C11H15ClN2O
Boiling Point: 380 °C at 760 mmHg 
Flash Point: 183.6 °C
Enthalpy of Vaporization: 62.81 kJ/mol
Vapour Pressure: 5.61E-06 mmHg at 25 °C 
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Exact Mass: 226.087291
MonoIsotopic Mass: 226.087291
Topological Polar Surface Area: 52.7
Heavy Atom Count: 15
Complexity: 186
Canonical SMILES: COC1=CC2=C(C=C1)C(=CN2)CC[NH3+].[Cl-]
InChI: InChI=1S/C11H14N2O.ClH/c1-14-9-2-3-10-8(4-5-12)7-13-11(10)6-9;/h2-3,6-7,13H,4-5,12H2,1H3;1H
InChIKey: ANTAOYZCCFNXOG-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

scu-mus LD50:645 mg/kg

     RPTOAN    Russian Pharmacology and Toxicology. Translation of FATOAO. 35 (1)(1972),2.
2.    

ivn-mus LD50:118 mg/kg

     FATOAO    Farmakologiya i Toksikologiya (Moscow). 35 (1972),16.

Safety Profile

Poison by intravenous route. Moderately toxic by subcutaneous route. When heated to decomposition it emits very toxic fumes of HCl and NOx.

Specification

 6-Methoxytryptamine hydrochloride (CAS NO.2736-21-2) is also called 3-(2-Aminoethyl)-6-methoxy-indolhydrochloride ; 3-(2-Aminoethyl)-6-methoxyindole hydrochloride ; AKOS JY2082612 ; 6-MethoxytryptamineHCl ; Ba-2808.